Lista de obras - Steven A Corcelli - Dominio Público Uruguay

Adsorption of diferrocenylacetylene on Au(111) studied by scanning tunneling microscopy ⬇️

artículo científico publicado el 4 de abril de 2013

Boundary integral methods for the Poisson equation of continuum dielectric solvation models

Counter Cations Affect Transport in Aqueous Hydroxide Solutions with Ion Specificity

artículo científico publicado en 2019

C–H···O Hydrogen Bonding in Pentamers of Isatin

DNA minor-groove binder Hoechst 33258 destabilizes base-pairing adjacent to its binding site

scientific article published on 22 September 2020

DNA's Chiral Spine of Hydration

artículo científico publicado en 2017

Decomposition of the Experimental Raman and Infrared Spectra of Acidic Water into Proton, Special Pair, and Counterion Contributions.

artículo científico publicado en 2017

Decompositions of Solvent Response Functions in Ionic Liquids: A Direct Comparison of Equilibrium and Nonequilibrium Methodologies

artículo científico publicado en 2018

Detection of DNA-ligand binding oscillations by Stokes-shift measurements.

artículo científico publicado en 2011

Differential utilization of binding loop flexibility in T cell receptor ligand selection and cross-reactivity

artículo científico publicado en 2016

Disparate Degrees of Hypervariable Loop Flexibility Control T-Cell Receptor Cross-Reactivity, Specificity, and Binding Mechanism ⬇️

artículo científico publicado el 12 de octubre de 2011

Dynamical Signature of Abasic Damage in DNA ⬇️

artículo científico publicado el 22 de diciembre de 2010

Dynamically Driven Allostery in MHC Proteins: Peptide-Dependent Tuning of Class I MHC Global Flexibility

artículo científico publicado en 2019

Dynamics and Vibrational Spectroscopy of Alcohols in Ionic Liquids: Methanol and Ethanol

scientific article published on 17 September 2019

Effect of pH and Salt on Surface pKa of Phosphatidic Acid Monolayers.

artículo científico publicado en 2017

Effects of Long-Range Electrostatics on Time-Dependent Stokes Shift Calculations

artículo científico publicado en 2009

Electric-field-driven electron-transfer in mixed-valence molecules.

artículo científico publicado en 2016

Enthalpic Driving Force for the Selective Absorption of CO2 by an Ionic Liquid.

artículo científico publicado en 2018

Evidence of an unusual N-H···N hydrogen bond in proteins.

artículo científico publicado en 2014

Evolution of Metastable Clusters into Ordered Structures for 1,1′-Ferrocenedicarboxylic Acid on the Au(111) Surface

Genomic and bioinformatic profiling of mutational neoepitopes reveals new rules to predict anticancer immunogenicity

artículo científico publicado en 2014

Hydrogen Bond Exchange and Ca2+ Binding of Aqueous N-Methylacetamide Revealed by 2DIR Spectroscopy

artículo científico publicado en 2020

Hydrogen-bonded clusters of 1, 1'-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

artículo científico publicado en 2015

Hydrogen-bonded clusters of ferrocenecarboxylic acid on Au(111)

artículo científico publicado en 2014

Infrared line shape of an alpha-carbon deuterium-labeled amino acid

artículo científico publicado en 2006

Limitations of time-resolved fluorescence suggested by molecular simulations: assessing the dynamics of T cell receptor binding loops.

artículo científico publicado en 2012

Machine Learning for Vibrational Spectroscopic Maps

scientific article published on 05 November 2019

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations.

artículo científico publicado en 2016

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map.

artículo científico publicado en 2016

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: III. Dynamics and Spectroscopy

article

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: IV. Temperature Dependence

artículo científico publicado en 2019

Modeling Sequence-Dependent Peptide Fluctuations in Immunologic Recognition.

artículo científico publicado en 2017

Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview

artículo científico publicado en 2009

Nitrile groups as vibrational probes: calculations of the CN infrared absorption line shape of acetonitrile in water and tetrahydrofuran.

artículo científico publicado en 2008

Non-intuitive clustering of 9,10-phenanthrenequinone on Au(111)

artículo científico publicado en 2017

Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

artículo científico publicado en 2008

Peptide and Peptide-Dependent Motions in MHC Proteins: Immunological Implications and Biophysical Underpinnings

artículo científico publicado en 2017

Phosphate vibrations probe local electric fields and hydration in biomolecules

artículo científico publicado en 2011

Predicting the Rate Constant of Electron Tunneling Reactions at the CdSe-TiO2 Interface

scientific article published on 14 January 2015

Rate and Amplitude Heterogeneity in the Solvation Response of an Ionic Liquid

artículo científico publicado en 2016

Reaction Ensemble Monte Carlo Simulations of CO2 Absorption in the Reactive Ionic Liquid Triethyl(octyl)phosphonium 2-Cyanopyrrolide

artículo científico publicado en 2018

Scanning Tunneling Microscopy Investigation of Two-Dimensional Polymorphism of Structural Isomers

Self-assembly of hydrogen-bonded two-dimensional quasicrystals

artículo científico publicado en 2014

Solvation dynamics of Hoechst 33258 in water: an equilibrium and nonequilibrium molecular dynamics study

artículo científico publicado en 2008

Structural Polymorphism as the Result of Kinetically Controlled Self-Assembly.

artículo científico publicado en 2018

Synthesis of a Neutral Mixed-Valence Diferrocenyl Carborane for Molecular Quantum-Dot Cellular Automata Applications

artículo científico publicado en 2015

The dynamics of water at DNA interfaces: computational studies of Hoechst 33258 bound to DNA.

artículo científico publicado en 2008

Tribute to James L. Skinner

scientific article published on 01 July 2014

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

artículo científico publicado en 2020

Lista de obras de Steven A Corcelli

Adsorption of diferrocenylacetylene on Au(111) studied by scanning tunneling microscopy ⬇️

Boundary integral methods for the Poisson equation of continuum dielectric solvation models

Counter Cations Affect Transport in Aqueous Hydroxide Solutions with Ion Specificity

C–H···O Hydrogen Bonding in Pentamers of Isatin

DNA minor-groove binder Hoechst 33258 destabilizes base-pairing adjacent to its binding site

DNA's Chiral Spine of Hydration

Decomposition of the Experimental Raman and Infrared Spectra of Acidic Water into Proton, Special Pair, and Counterion Contributions.

Decompositions of Solvent Response Functions in Ionic Liquids: A Direct Comparison of Equilibrium and Nonequilibrium Methodologies

Detection of DNA-ligand binding oscillations by Stokes-shift measurements.

Differential utilization of binding loop flexibility in T cell receptor ligand selection and cross-reactivity

Disparate Degrees of Hypervariable Loop Flexibility Control T-Cell Receptor Cross-Reactivity, Specificity, and Binding Mechanism ⬇️

Dynamical Signature of Abasic Damage in DNA ⬇️

Dynamically Driven Allostery in MHC Proteins: Peptide-Dependent Tuning of Class I MHC Global Flexibility

Dynamics and Vibrational Spectroscopy of Alcohols in Ionic Liquids: Methanol and Ethanol

Effect of pH and Salt on Surface pKa of Phosphatidic Acid Monolayers.

Effects of Long-Range Electrostatics on Time-Dependent Stokes Shift Calculations

Electric-field-driven electron-transfer in mixed-valence molecules.

Enthalpic Driving Force for the Selective Absorption of CO2 by an Ionic Liquid.

Evidence of an unusual N-H···N hydrogen bond in proteins.

Evolution of Metastable Clusters into Ordered Structures for 1,1′-Ferrocenedicarboxylic Acid on the Au(111) Surface

Genomic and bioinformatic profiling of mutational neoepitopes reveals new rules to predict anticancer immunogenicity

Hydrogen Bond Exchange and Ca2+ Binding of Aqueous N-Methylacetamide Revealed by 2DIR Spectroscopy

Hydrogen-bonded clusters of 1, 1'-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

Hydrogen-bonded clusters of ferrocenecarboxylic acid on Au(111)

Infrared line shape of an alpha-carbon deuterium-labeled amino acid

Limitations of time-resolved fluorescence suggested by molecular simulations: assessing the dynamics of T cell receptor binding loops.

Machine Learning for Vibrational Spectroscopic Maps

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations.

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map.

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: III. Dynamics and Spectroscopy

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: IV. Temperature Dependence

Modeling Sequence-Dependent Peptide Fluctuations in Immunologic Recognition.

Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview

Nitrile groups as vibrational probes: calculations of the CN infrared absorption line shape of acetonitrile in water and tetrahydrofuran.

Non-intuitive clustering of 9,10-phenanthrenequinone on Au(111)

Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

Peptide and Peptide-Dependent Motions in MHC Proteins: Immunological Implications and Biophysical Underpinnings

Phosphate vibrations probe local electric fields and hydration in biomolecules

Predicting the Rate Constant of Electron Tunneling Reactions at the CdSe-TiO2 Interface

Rate and Amplitude Heterogeneity in the Solvation Response of an Ionic Liquid

Reaction Ensemble Monte Carlo Simulations of CO2 Absorption in the Reactive Ionic Liquid Triethyl(octyl)phosphonium 2-Cyanopyrrolide

Scanning Tunneling Microscopy Investigation of Two-Dimensional Polymorphism of Structural Isomers

Self-assembly of hydrogen-bonded two-dimensional quasicrystals

Solvation dynamics of Hoechst 33258 in water: an equilibrium and nonequilibrium molecular dynamics study

Structural Polymorphism as the Result of Kinetically Controlled Self-Assembly.

Synthesis of a Neutral Mixed-Valence Diferrocenyl Carborane for Molecular Quantum-Dot Cellular Automata Applications

The dynamics of water at DNA interfaces: computational studies of Hoechst 33258 bound to DNA.

Tribute to James L. Skinner

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction